ChemSpider 2D Image | 3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane | C22H22ClN3O

3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC22H22ClN3O
  • Average mass379.883 Da
  • Monoisotopic mass379.145142 Da
  • ChemSpider ID24655872
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(4-Chlorophenyl)-8-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
3-(4-Chlorophényl)-8-méthyl-2-(3-phényl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-8-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-(4-chlorophenyl)-8-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 526.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 8.86
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 31.22
ACD/KOC (pH 7.4): 117.76
Polar Surface Area: 42 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 308.9±3.0 cm3

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